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| CAS No.: | 65938-76-3 |
|---|---|
| Name: | 6-METHYLPYRIDINE-2-SULFONAMIDE |
| Molecular Structure: | |
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| Formula: | C6H8N2O2S |
| Molecular Weight: | 172.2 |
| Synonyms: | 6-Methylpyridine-2-sulfonamide;2-Pyridinesulfonamide,6-methyl-(9CI); |
| Density: | 1.347 g/cm3 |
| Boiling Point: | 358.058 °C at 760 mmHg |
| Flash Point: | 170.347 °C |
| PSA: | 81.43000 |
| LogP: | 1.81850 |
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Specification
The IUPAC name of 2-Pyridinesulfonamide,6-methyl- is 6-methylpyridine-2-sulfonamide. With the CAS registry number 65938-76-3, it is also named as 2-Pyridinesulfonamide,6-methyl-(9CI). The product's categories are Sulfonamide; Pyridines. In addition, its molecular formula is C6H8N2O2S and molecular weight is 172.2.
The other characteristics of 2-Pyridinesulfonamide,6-methyl- can be summarized as: (1)ACD/LogP: 0.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.16; (4)ACD/LogD (pH 7.4): 0.157; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 29.098; (8)ACD/KOC (pH 7.4): 28.893; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 81.43 Å2; (13)Index of Refraction: 1.564; (14)Molar Refractivity: 41.613 cm3; (15)Molar Volume: 127.881 cm3; (16)Polarizability: 16.497×10-24cm3; (17)Surface Tension: 54.104 dyne/cm; (18)Density: 1.347 g/cm3; (19)Flash Point: 170.347 °C; (20)Enthalpy of Vaporization: 60.35 kJ/mol; (21)Boiling Point: 358.058 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: Cc1cccc(n1)S(=O)(=O)N
(2)InChI: InChI=1/C6H8N2O2S/c1-5-3-2-4-6(8-5)11(7,9)10/h2-4H,1H3,(H2,7,9,10)
(3)InChIKey: JJQJVNFFBMYTJK-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C6H8N2O2S/c1-5-3-2-4-6(8-5)11(7,9)10/h2-4H,1H3,(H2,7,9,10)
(5)Std. InChIKey: JJQJVNFFBMYTJK-UHFFFAOYSA-N